MODULE 14.2
Solidification—Let’s Make It Crystal Clear!
Prerequisite: Module 9.5, “Random Walk.”
Introduction
What do snowflakes and steel have in common? At first glance, we probably would
say, not much. However, if we could look closely enough, we would see that they
both are crystalline, possessing amazing structural similarities. Each is made of treelike
structures called dendrites, which are formed as substance cools during the
process of solidification.
Snowflakes are composed of one or more snow crystals. Each crystal is built of
water molecules arranged in a very specific, hexagonal lattice. These crystals form
in the clouds by the condensation of water vapor into ice. At first, while very small,
the crystals form as hexagonally shaped prisms, following the original, molecular
symmetry. The edges of the facets of this prism grow out more rapidly than the facets
themselves, leading to the formation of “limbs.” These limbs may, and usually
do, produce other branches, leading to the dendrite, or treelike, forms.
A number of factors determine the precise shape of the crystal, but temperature is
the primary influence. As snowflakes blow and fall through the clouds, they encounter
significant variations in temperature, humidity, and pressure. Each snowflake
tends to have different environmental “experiences,” which lead to the development
of different shapes. Why snowflake shape is so temperature dependent is not completely
understood (Libbrecht).
The solidification of snowflakes is fascinating, but the process of solidification
has an impressive array of manufacturing applications. Despite the increased use of
plastics, think of all the things we use everyday that are metal. Used to produce everything
from soda cans to car engines, these metals and alloys are formed from
liquids that have “frozen,” or solidified. Solidification, therefore, is an important
process for generating metal products as well as snowflakes.
Dendrites form within the molten metals/alloys as they solidify during the casting
process. These dendrites vary greatly in shape, size, and orientation. Furthermore,
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700 Module 14.2
the individual dendrites interconnect in various ways to generate a series of intricate
microstructures. These individual and collective variations greatly influence the
structural qualities (e.g., strength and flexibility) of the product (Glicksman et al.
1991). There are numerous horror stories of castings that have broken apart from
internal defects that originated from thermal stresses occurring during solidification
(Seetharamu et al. 2001). According to scientists, we would be able to understand
(and, therefore, control) the properties of materials that solidify dendritically better
if we could develop effective computational models of the behavior of individual
dendrites.
Under the influence of Earth’s gravity, liquid metal is subject to the influence of
convective currents as it cools. These currents significantly alter the growth of the
dendrites, which makes modeling of “normal” dendritic growth and the effects of
convective currents on such growth virtually impossible. Confronting this difficulty,
the National Aeronautics and Space Administration (Glicksman et al. 1991) has
teamed with scientists at Rensselaer Polytechnic Institute in the Isothermal Dendritic
Growth Experiment (IDGE). Experiments in this program, conducted in conditions
of low gravity that Earth orbit offers, have already shed tremendous light on dendritic
growth. For instance, scientists, using IDGE data, will be able to separate the
effects of convection from other factors that impact solidification of metals and alloys.
Such information will go far to improve computational models, which should
guide us to improved industrial production of various metals/alloys.
Projects
1. a. We can use the technique of diffusion-limited aggregation (DLA) to
build a dendritic structure. In one form of the algorithm, a seed, or initial
location for the developing dendritic structure, is in the middle of an
m × m launching rectangle. This launching rectangle is a region in the
middle of an n × n grid, where m < n. For example, m might be 16 and n
might be 40. One at a time, “particles” are released from random positions
on the launching rectangle boundary to go on random walks. If the walker
comes in contact with another particle (i.e., a neighbor to its north, east,
south, or west), with a designated sticking probability, the walker adheres
to the particle, resulting in a larger structure. If the walker travels too
close to the boundary of the grid, the simulation deletes that walker and
releases another random walker from the launching rectangle. Use the
DLA algorithm to develop a simulation to generate dendritic structures,
with the number of particles for the structure as a parameter (Panoff
2004).
b. Develop a visualization that shows the simulation one step at a time, including
the random walks. Develop another animation that shows only the
particles as a new particle attaches to the growing structure. An attractive
enhancement is for the color of the particle to be a function of its distance
from the seed. (Follow the link “Simple DLA Example” at the Shodor
website for an example of such a simulation with animation (The Shodor
Educational Foundation 2002).)
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Additional Cellular Automata, Agent-Based and Matrix Projects 701
c. Run the simulation and visualization a number of times for several different
sticking probabilities. Discuss the impact of the sticking probabilities
on the resulting structures.
2. Repeat Project 1 considering the eight surrounding cells as a walker’s nearest
neighbors.
3. Repeat Project 1, Parts a and b, where the sticking probability is 0.33 for
contact with one particle, 0.67 for simultaneous contact with two particles,
and 1.0 for contact with three. Run the simulation a number of times and
discuss the results (Panoff 2004).
4. a. Repeat Project 2, Parts a and b, where the sticking probability is based on
the number of particles the walker contacts simultaneously. Run the simulation
a number of times and discuss the results (Panoff 2004).
b. Adjust the situation so that the sticking probability is 0.1 for contact with
one particle, 0.5 for two particles, and 0.9 for three or more particles. Run
the simulation and animation a number of times and discuss the results
(Panoff 2004).
c. Adjust the situation so that the sticking probability is 0.01 for contact with
one or two particles, 0.03 for three particles, and 1.0 for more than three
particles. Run the simulation a number of times and discuss the results
(Panoff 2004).
5. Repeat Project 1, Parts a and b, where the sticking probability is greater for
bonds continuing in a straight line. For example, a walker is more likely to
adhere to a north neighbor if that particle is stuck to a particle to its north.
Similar situations exist for the other directions. Run the simulation a number
of times and discuss the results (Panoff 2004).
6. Repeat Project 5, considering the eight surrounding cells as a walker’s nearest
neighbors (Panoff 2004).
7. Changing conditions affect crystalline formation and cause a great variety in
the shapes. During a simulation, we can vary the sticking probability to indicate
such changing conditions. Do Project 2, starting with sticking probabilities
as in Project 4, Part b. After forming an aggregate with a specified number
(such as 100) of particles, use sticking probabilities, as in Project 4c, for
a specified number (such as 100) of particles; then change to a different sticking
probability configuration (Panoff 2004).
8. Repeat any of Projects 1–6, considering the impact of wind or gravity on
dendritic growth by having the walker travel with a greater probability in a
particular direction (Shodor 2002).
9. Repeat any of Projects 1-8, using a launching circle of radius m instead of a
launching rectangle. (Follow the link “Diffusion Limited Aggregation Calculator”
at the Shodor website for such a simulation example (The Shodor
Educational Foundation 2002).)
10. Repeat any of Projects 1–8, using a launching circle instead of a launching
rectangle, of radius 2rmax, where rmax is the radius of the structure so far. Delete
a walker if it travels too close to the boundary of the grid or beyond a
distance of 3rmax from the seed. Such adjustments should speed the simulation
(Gould and Tobochnik 1988).
11. Do Project 10, with the following additional adjustment to speed the simulation
by having larger step sizes further away from the structure: If a walker is
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702 Module 14.2
at a distance r > rmax + 4 from the seed, where rmax is the radius of the structure
so far, then have step sizes of length r – rmax – 2; otherwise, have step
sizes of length 1 (Gould and Tobochnik 1988).
12. Repeat any of Projects 1 or 2, considering accumulation on a structure, such
as the deposit of snow on a tree. Have the seed be a triangular tree-like structure
or other type of structure on the bottom of the grid. Release random
walkers from the north end of the grid with a greater likelihood of traveling
south (Panoff 2004).
References
Glicksman, Martin E., M. B. Koss, R. C. Hahn, Ana Cris R. Veloso, A. Rojas, and E.
Winsa. 1991. “Scientific Basis for the Isothermal Dendritic Growth Experiment:
A USMP-2 Space Flight Experiment.” In Materials Science Forum, 77: 51–60.
Gould, Harvey, and Jan Tobochnik. 1988. An Introduction to Computer Simulation
Methods, Applications to Physical Systems, Part 2. Reading, MA: Addison-Wesley:
695.
Libbrecht, Kenneth G. “Snowflake Primer—The Basic Facts About Snowflakes and
Snow Crystals.” California Institute of Technology. http://www.its.caltech
.edu/~atomic/snowcrystals/primer/primer.htm (accessed January 1, 2013)
Panoff, Robert. 2004. “Diffusion Limited Aggregation.” Educational Materials for
Undergraduate Compuational Science. Capital University. http://www.capital
.edu/cs-computational-science/ (accessed January 1, 2013)
Seetharamu, K. N., R. Paragasam, Ghulam A. Quadir, Z. A. Zainal, P. Sthaya Prasad,
and T. Sundararajan. 2001. “Finite Element Modeling of Solidification Phenomena.”
Sadhana, 26 (Parts 1 and 2): 103–120.
The Shodor Educational Foundation. 2002. “Software—Diffusion Limited Aggregation
Calculator.” Computational Science Education Reference Desk. http://www
.shodor.org/refdesk/Resources/Models/DLA/ (accessed January 1, 2013)
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